ChemDB: Chemical Search
Download
Chemical ID: 5596095
Chemical ID:
5596095
Name [?]:
N-[2-[(4-acetylphenyl)carbamoyl]ethyl]-2-chloro-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H17ClN2O3/c1-12(22)13-6-8-14(9-7-13)21-17(23)10-11-20-18(24)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,5,9,6,8,13,14,2,4,7,18,23,11,16,24,15,10,3,12,17/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCNCOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61234 |
Area: | 570.638 |
Solvation: | -4.6536 |
Coulombic: | -49.0774 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.792 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.03 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|